SCHEMBL11862175

SCHEMBL11862175

O=C(O)C=Nc1cccc(N=CC(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NOS1 P29475 1/20 0.37
▸ TRPA1 O75762 1/20 0.34
▸ LPAR1 Q92633 1/20 0.34
▸ LPAR2 Q9HBW0 1/20 0.34
▸ CA1 P00915 4/20 0.34
▸ CA2 P00918 4/20 0.34
▸ CA7 P43166 3/20 0.34
▸ CA9 Q16790 3/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CPN1 P15169 1/20 0.33
▸ CPB2 Q96IY4 1/20 0.33
▸ NPC1 O15118 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13723903 0.86 NPSR1 (0.47) TP53NOS1CA1CA2CA7
SCHEMBL14320437 0.86 NPSR1 (0.47) TP53NOS1CA1CA2CA7
SCHEMBL8036960 0.86 CA1 (0.44) TRPA1CA1CA2MEN1KMT2A
SCHEMBL8036958 0.86 CA1 (0.44) TRPA1CA1CA2MEN1KMT2A
Acetic Acid SCHEMBL5000093 0.80 NOS3 (0.41) NOS1TRPA1CA1CA2MEN1
SCHEMBL13724064 0.70 NOS1 (0.52) TP53NOS1CA1CA2CA7
SCHEMBL28242694 0.70 ALDH1A1 (0.55) HTTMEN1KMT2AL3MBTL1POLB
SCHEMBL14320269 0.70 NOS1 (0.52) TP53NOS1CA1CA2CA7
SCHEMBL19526913 0.69 NOS1 (0.55) TP53NOS1CA1CA2CA7
SCHEMBL28242722 0.68 NOS3 (0.52) NOS1CA1CA2KMT2AL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3997513-A Solution for forming thermal resisting polymers NITTO ELECTRIC INDUSTRIAL CO., LTD. (JA) 1976-12-14 — — US disclosed
Send feedback